Abstract
A new molecular complex of fullerene with tetramethyltetraselenafulvalene (TMTSF), C60·TMTSF·2CS2, (1) was synthesized. The structure and composition of the complex were established by X-ray diffraction analysis. The crystals of C60·C10H12Se4·2CS2 are monoclinic:a=15.407(2),b=12.934(2),c=12.026(2) Å β=108.39(3)°,V=2274.1(6) Å3, space groupCm, Z=2,d calc=1.929 g cm−3,R=0.047. The crystal structure of 1 consists of layers. Layers formed by fullerene and CS2 molecules alternate with layers of TMTSF molecules. Peculiarities of the crystal structure of 1 are the nonplanar conformation of TMTSF molecules and the absence of shortened C…C contacts between adjacent fullerenes molecules. The energy of intermolecular TMTSF…C60 interactions in the crystal was estimated.
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Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1480–1485, August, 1997.
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Konovalikhin, S.V., D'yachenko, O.A., Shilov, G.V. et al. Crystal structure of a new molecular complex of fullerene with tetramethyltetraselenafulvalene: C60·TMTSF·2CS2 . Russ Chem Bull 46, 1415–1420 (1997). https://doi.org/10.1007/BF02505677
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DOI: https://doi.org/10.1007/BF02505677